⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8028559 | 0.68 | — | — | |
| SCHEMBL2742439 | 0.68 | CYP2A6 (0.33) | — | |
| SCHEMBL2881048 | 0.64 | — | — | |
| SCHEMBL2609818 | 0.57 | PTK2 (0.44) | — | |
| SCHEMBL9607639 | 0.56 | PRKCI (0.39) | — | |
| SCHEMBL12547683 | 0.51 | MEN1 (0.35) | — | |
| SCHEMBL1695498 | 0.49 | — | — | |
| SCHEMBL7474882 | 0.49 | — | — | |
| SCHEMBL5367283 | 0.49 | — | — | |
| SCHEMBL1466497 | 0.49 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120004386-A1 | CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME | UNIVERSITE DE MONTREAL (CA) | 2012-01-05 | — | — | US | disclosed |
| US-8034895-B2 | Conjugated thiophenes having conducting properties and synthesis of same | Université de Montréal (CA) | 2011-10-11 | — | — | US | disclosed |
| US-20070287842-A1 | Conjugated Thiophenes Having Conducting Properties and Synthesis of Same | UNIVERSITE DE MONTREAL (CA) | 2007-12-13 | — | — | US | disclosed |